6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol

C14H10BrFN2O — CID 137147897

IUPAC6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1c2cccnc2cn1Cc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O/c15-10-4-3-9(12(16)6-10)7-18-8-13-11(14(18)19)2-1-5-17-13/h1-6,8,19H,7H2
InChIKeyPNUAQRLGRIEGQN-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.69
Rot. Bonds2

About 6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol

6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137147897) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137147897
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1c2cccnc2cn1Cc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O/c15-10-4-3-9(12(16)6-10)7-18-8-13-11(14(18)19)2-1-5-17-13/h1-6,8,19H,7H2
InChIKeyPNUAQRLGRIEGQN-UHFFFAOYSA-N
XLogP3.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-Bromo-2-fluorophenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
CID 123455357
9-Amino-2-cyclopropyl-5-fluoropyrrolo[3,4-b]quinolin-1-ol
CID 136495011
9-Amino-5-bromo-2-cyclobutyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
CID 136509920
5-Bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
CID 136601367
9-Amino-5-bromo-2-cyclopropyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
CID 136614628
9-Amino-5-bromo-6-fluoro-2-methylpyrrolo[3,4-b]quinolin-1-ol
CID 136626534
2-[1-(2-Fluorophenyl)-5-methyltriazol-4-yl]-6-propylpyrrolo[3,4-b]pyridin-5-ol
CID 136647101
9-Amino-5-bromo-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
CID 136657661
6-[[4-[4-(Dimethylamino)phenyl]-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137021788
6-[(2-Fluoro-4-pyridin-4-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137029767
12-[2-Bromo-4-(trifluoromethyl)phenyl]sulfonyl-3,9,12-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7-tetraen-8-ol
CID 137037346
6-[(2-Fluoro-4-pyridin-3-ylphenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137044998

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (CID 137147897) is 6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is Oc1c2cccnc2cn1Cc1ccc(Br)cc1F.
What is the InChIKey of 6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is PNUAQRLGRIEGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-10-4-3-9(12(16)6-10)7-18-8-13-11(14(18)19)2-1-5-17-13/h1-6,8,19H,7H2.
What are the key properties of 6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol?
6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 321.15 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-fluorophenyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137147897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).